ethyl 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-propan-2-yl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-propan-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-isopropyl-amino]acetate CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-propan-2-ylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetate Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-isopropyl-amino]acetic acid ethyl ester Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

CCOC(=O)CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C(C)C

InChI

InChI=1S/C17H20ClN5O4/c1-4-27-15(24)10-22(11(2)3)16-14(23(25)26)9-19-17(21-16)20-13-7-5-12(18)6-8-13/h5-9,11H,4,10H2,1-3H3,(H,19,20,21)